中文簡(jiǎn)介

《理論與計(jì)算化學(xué)雜志》(JTCC)是一份國(guó)際性的跨學(xué)科雜志，旨在全面報(bào)道理論和計(jì)算化學(xué)領(lǐng)域不斷擴(kuò)大的研究的最新進(jìn)展和應(yīng)用。JTCC定期發(fā)表關(guān)于新方法、軟件、web服務(wù)器和數(shù)據(jù)庫(kù)開發(fā)的文章和評(píng)論。對(duì)現(xiàn)有理論和計(jì)算方法的應(yīng)用也表示歡迎，這些方法對(duì)重要問(wèn)題產(chǎn)生了重大的新見解。鼓勵(lì)發(fā)表聯(lián)合計(jì)算和實(shí)驗(yàn)研究的論文。如果沒(méi)有解決重大的科學(xué)問(wèn)題，該雜志不會(huì)考慮用現(xiàn)有軟件包直接計(jì)算分子性質(zhì)的手稿。該雜志涵蓋的領(lǐng)域包括分子動(dòng)力學(xué)、計(jì)算機(jī)輔助分子設(shè)計(jì)、突變對(duì)大分子穩(wěn)定性和動(dòng)力學(xué)的建模影響、量子力學(xué)、統(tǒng)計(jì)力學(xué)等相關(guān)主題。

　　英文簡(jiǎn)介

The Journal of Theoretical and Computational Chemistry (JTCC) is an international interdisciplinary journal aimed at providing comprehensive coverage on the latest developments and applications of research in the ever-expanding field of theoretical and computational chemistry.JTCC publishes regular articles and reviews on new methodology, software, web server and database developments. The applications of existing theoretical and computational methods which produce significant new insights into important problems are also welcomed. Papers reporting joint computational and experimental investigations are encouraged. The journal will not consider manuscripts reporting straightforward calculations of the properties of molecules with existing software packages without addressing a significant scientific problem.Areas covered by the journal include molecular dynamics, computer-aided molecular design, modeling effects of mutation on stability and dynamics of macromolecules, quantum mechanics, statistical mechanics and other related topics.

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